Table 5.
Drugs | Total binding sites | (6W4B) NSP9 Replicase of COVID-19 | |||
---|---|---|---|---|---|
Grazoprevir | Known similar target molecule |
NS3 protease, NS4a protein, Hepacivirus C |
|||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 0.94 Å | ||||
Amino acid targets of drug |
66 ILE 59 LYS 62 GLY |
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No. of residues in known binding | 16 | ||||
Human similar targets | 8 | ||||
Ribavirin | Known similar target molecule |
RNA polymerase, Norwalk virus |
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Binding properties | 1 | 1 | Superposition type | R | |
RMSD | 0.80 Å | ||||
Amino acid targets of drug |
36 THR 35 THR 34 ASN |
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No. of residues in known binding | 09 | ||||
Human similar targets | 2 | ||||
Rimantadine | Known similar target molecule |
M2, BM2 protein, Influenza A,B |
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Binding properties | 3 | 1 | Superposition type | L | |
RMSD | 0.90 Å | ||||
Amino acid targets of drug |
109 ALA 106 SER 105 GLY |
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No. of residues in known binding | 9 | ||||
Human similar targets | 0 | ||||
2 | Superposition type | R | |||
RMSD | 1.10 Å | ||||
Amino acid targets of drug |
111 VAL 108 VAL 106 SER |
||||
No. of residues in known binding | 10 | ||||
Human similar targets | 0 | ||||
3 | Superposition type | R | |||
RMSD | 1.26 Å | ||||
Amino acid targets of drug |
111 VAL 109 ALA 106 SER |
||||
No. of residues in known binding | 10 | ||||
Human similar targets | 0 | ||||
Tipranavir | Known similar target molecule | Protease, HIV-1 | |||
Binding properties | 1 | 1 | Superposition type | L | |
RMSD | 1.21 Å | ||||
Amino acid targets of drug |
16 ALA 26 ASP 27 ASP |
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No. of residues in known binding | 27 | ||||
Human similar targets | 3 |
Features of different drug binding motifs. HIV-1 Human Immunodeficiency virus 1, RMSD Root Mean Square Deviation, Å angstrom, ILE isoleucine, GLY glycine, VAL valine, ASP aspartic acid, ASN asparagine, ALA alanine, THR threonine, LYS lysine, SER serine